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BDBM168713 US9079866, 90::US9745328, Compound 90::US9884878, Compound 90

SMILES: Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NCC1CC1

InChI Key: InChIKey=VGFCPHNAWOEYKX-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 168713   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM168713
PNG
(US9079866, 90 | US9745328, Compound 90 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-9-14(7-8-16(17)18-11-24-20(22)12-23-18)15-3-1-2-4-19(15)28(26,27)25-10-13-5-6-13/h1-4,7-9,11-13,25H,5-6,10H2,(H2,22,24)
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Similars

US Patent
1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9079866 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3R3Q
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM168713
PNG
(US9079866, 90 | US9745328, Compound 90 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-9-14(7-8-16(17)18-11-24-20(22)12-23-18)15-3-1-2-4-19(15)28(26,27)25-10-13-5-6-13/h1-4,7-9,11-13,25H,5-6,10H2,(H2,22,24)
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Article
US Patent
1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...


US Patent US9745328 (2017)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM168713
PNG
(US9079866, 90 | US9745328, Compound 90 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-9-14(7-8-16(17)18-11-24-20(22)12-23-18)15-3-1-2-4-19(15)28(26,27)25-10-13-5-6-13/h1-4,7-9,11-13,25H,5-6,10H2,(H2,22,24)
PDB
MMDB

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PC cid
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Article
US Patent
1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9884878 (2018)


Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair